نتایج جستجو برای: electronic band structures
تعداد نتایج: 779030 فیلتر نتایج به سال:
Articles you may be interested in Role of strain on electronic and mechanical response of semiconducting transition-metal dichalcogenide monolayers: An ab-initio study Electronic and thermoelectric properties of few-layer transition metal dichalcogenides Computational study on electrical properties of transition metal dichalcogenide field-effect transistors with strained channel Band alignment ...
Stabilities and structures of β- and α-Sn nanoparticles are studied using density functional theory. Results show that β-Sn nanoparticles are more stable. For both phases of Sn, nanoparticles smaller than 1 nm (~48 atoms) are amorphous and have a band gap between 0.4 and 0.7 eV. The formation of band gap is found to be due to amorphization. By increasing the size of Sn nanoparticles (1-2.4 nm),...
We have measured plasmon energies in Na under high pressure up to 43 GPa using inelastic x-ray scattering (IXS). The momentum-resolved results show clear deviations, growing with increasing pressure, from the predictions for a nearly free-electron metal. Plasmon energy calculations based on first-principles electronic band structures and a quasiclassical plasmon model allow us to identify a pre...
New phenomena arise in single-crystal semiconductors when these are fabricated in very thin sheets, with thickness at the nanometer scale. We review recent research on Si and Ge nanomembranes, including the use of elastic strain sharing, layer release, and transfer, that demonstrate new science and enable the fabrication of materials with unique properties. Strain engineering produces new strai...
The electronic and atomic structures of amorphous transparent tin oxides have been investigated by a combination of X-ray spectroscopy and atomistic calculations. Crystalline SnO is a promising p-type transparent oxide semiconductor due to a complex lone-pair hybridization that affords both optical transparency despite a small electronic band gap and spherical s-orbital character at the valence...
We study the structural, dynamical, and electronic properties of amorphous Si1−xGex :H alloys using firstprinciples local basis molecular dynamics techniques. The network topology and defects in the amorphous network have been analyzed. Structural changes, particularly an increase in number of defects and strained bond angles, have been found as the Ge content increases from x=0.1 to 0.5. The e...
We report advance ab-initio computational results on the electronic structure and semiconducting properties of ZnTe which have been carried out using the first-principles tight-binding linear muffin-tin orbital method (TB-LMTO) within local density approximation (LDA). These theoretical calculations are performed to study the electronic band structures and other semiconductor’s properties like ...
First-principles study of the structures and electronic band properties of Bi2Te3{011̄5} nanoribbons
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